9RDA
Cocrystal structure of Zilurgisertib bound to the ALK2-FKBP12 complex
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Activin receptor type-1 | polymer | 330 | 37370.7 | 1 | UniProt (Q04771) Pfam (PF08515) Pfam (PF07714) | Homo sapiens (human) | Activin receptor type I,ACTR-I,Activin receptor-like kinase 2,ALK-2,Serine/threonine-protein kinase receptor R1,SKR1,TGF-B superfamily receptor type I,TSR-I |
| 2 | B (B) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 109 | 11990.7 | 1 | UniProt (P62942) Pfam (PF00254) | Homo sapiens (Human) | PPIase FKBP1A,12 kDa FK506-binding protein,12 kDa FKBP,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 3 | C (A) | Zilurgisertib | non-polymer | 504.7 | 1 | Chemie (A1JFB) | |||
| 4 | D, E, F, G, H... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 5 | R, S (A, B) | water | water | 18.0 | 399 | Chemie (HOH) |
Sequence modifications
A: 172 - 498 (UniProt: Q04771)
B: 2 - 108 (UniProt: P62942)
| PDB | External Database | Details |
|---|---|---|
| Ser 169 | - | expression tag |
| Ser 170 | - | expression tag |
| Met 171 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 49361.4 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1373.6 | |
| All* | Total formula weight | 50735.0 |
